Crystallography Open Database

Information card for entry 4027917

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Coordinates	4027917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H O
Calculated formula	C1.61111 H1.665 O0.166667
Title of publication	C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes
Authors of publication	Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	1062 - 1069
a	12.0399 ± 0.0007 Å
b	12.0399 ± 0.0007 Å
c	9.8716 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	1239.26 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2343
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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